3-(2-methoxyphenyl)-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide

C21H21N5O3 — CID 19493757

About 3-(2-methoxyphenyl)-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide

3-(2-methoxyphenyl)-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 19493757) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: 3-(2-methoxyphenyl)-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
• PubChem CID: 19493757
• Molecular Formula: C21H21N5O3
• Molecular Weight: 391.43 g/mol
• Exact Mass: 391.16
• IUPAC Name: 3-(2-methoxyphenyl)-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
• SMILES: COc1ccccc1C1=NOC(C(=O)Nc2ncn(Cc3ccccc3C)n2)C1
• InChI: InChI=1S/C21H21N5O3/c1-14-7-3-4-8-15(14)12-26-13-22-21(24-26)23-20(27)19-11-17(25-29-19)16-9-5-6-10-18(16)28-2/h3-10,13,19H,11-12H2,1-2H3,(H,23,24,27)
• InChIKey: NRNWWCFVEBQHRJ-UHFFFAOYSA-N
• XLogP: 2.78
• TPSA: 90.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.43
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide?

The IUPAC name of 3-(2-methoxyphenyl)-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 19493757) is 3-(2-methoxyphenyl)-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

What is the SMILES notation for 3-(2-methoxyphenyl)-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide?

The canonical SMILES for 3-(2-methoxyphenyl)-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide is COc1ccccc1C1=NOC(C(=O)Nc2ncn(Cc3ccccc3C)n2)C1.

What is the InChIKey of 3-(2-methoxyphenyl)-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide?

The InChIKey is NRNWWCFVEBQHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3/c1-14-7-3-4-8-15(14)12-26-13-22-21(24-26)23-20(27)19-11-17(25-29-19)16-9-5-6-10-18(16)28-2/h3-10,13,19H,11-12H2,1-2H3,(H,23,24,27).

What are the key properties of 3-(2-methoxyphenyl)-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide?

3-(2-methoxyphenyl)-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 391.43 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-methoxyphenyl)-N-[1-[(2-methylphenyl)methyl]-1,2,4-triazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 19493757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).